SCHEMBL2685175

SCHEMBL2685175

O=C(N[C@H]1CC[C@H](C(F)(F)F)CC1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2nc1OCC(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 17/20 0.46
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2685178 1.00 PTGES (0.46) PTGESRAF1BRAFCNR1CNR2
SCHEMBL10173539 0.92 TP53 (0.42) PTGESRAF1BRAFCNR1CNR2
SCHEMBL2686621 0.90 PTGES (0.45) PTGESDRD2DRD3
SCHEMBL2686619 0.90 PTGES (0.45) PTGESDRD2DRD3
SCHEMBL2683741 0.90 PTGES (0.46) PTGESDRD2DRD3
SCHEMBL2683746 0.90 PTGES (0.46) PTGESDRD2DRD3
SCHEMBL2685443 0.89 PTGES (0.47) PTGESCNR1CNR2
SCHEMBL2685437 0.89 PTGES (0.47) PTGESCNR1CNR2
SCHEMBL2685664 0.88 PTGES (0.53) PTGES
SCHEMBL2685658 0.88 PTGES (0.53) PTGES

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350073-B1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-12 EP claimed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US claimed
EP-2350073-B1 3H-IMIDAZO[4,5-b]PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-11-12 EP disclosed
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703796-B2 3H-imidazo [4, 5-B] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120115902-A1 3H-Imidazo [4, 5-B] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, MAPRE2, IL4 PTGES 132/4885RAF1 1300/4885BRAF 868/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.